SCHEMBL24825614

SCHEMBL24825614

COc1cc(C#N)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.43
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
GRM6 O15303 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
EGFR P00533 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28683800 0.94 GPR35 (0.43) GPR35GRIA1GRIA2GRIA3GRIA4
SCHEMBL11163249 0.85 ALDH1A1 (0.47) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL14993728 0.83 TDP1 (0.42) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL6665406 0.82 VCAM1 (0.47) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL31503677 0.81 VCAM1 (0.44) GPR35GRIA1GRIA2GRIA3GRIA4
SCHEMBL2773208 0.80 MAPT (0.53) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL4103425 0.80 MAPT (0.49) TDP1ALDH1A1MAPTPOLBALOX15
SCHEMBL3648533 0.78 MERTK (0.48) TDP1ALDH1A1MAPTEGFRALOX15
SCHEMBL28560626 0.78 HTT (0.45) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL3315272 0.78 TDP1 (0.41) GRIA1GRIA2GRIA3GRIA4GRM6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP disclosed
WO-2021063821-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS GPR35 2596/4885GRIA1 2862/4885GRIA2 3698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.